Geometry & MOs

Info

ID:	235298
PubChem CID:	92304370
Reduced:	N2O2F3C23H25 (1)
Stoich.:	A2B2C3D23E25 (1)
Weight, g/mol:	408.220164
ΔH_f, kcal/mol:	-198.94
Dipole, Da:	9.14
IP(EA), eV:	-8.66(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-methylindol-3-yl)-3-(4-methylphenyl)propan-1-one

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)[C@H](CC(=O)NCCCOC)C3=CC(=CC=C3)C(F)(F)F

DOS

IR

Vibrations